1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol

C15H24ClNO — CID 55098610

IUPAC1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1cccc(Cl)c1)CC(C)(C)C
InChIInChI=1S/C15H24ClNO/c1-15(2,3)11-17(4)9-8-14(18)12-6-5-7-13(16)10-12/h5-7,10,14,18H,8-9,11H2,1-4H3
InChIKeyOOILGOCKZCAEEX-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.74
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol

1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol (PubChem CID 55098610) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
PubChem CID55098610
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1cccc(Cl)c1)CC(C)(C)C
InChIInChI=1S/C15H24ClNO/c1-15(2,3)11-17(4)9-8-14(18)12-6-5-7-13(16)10-12/h5-7,10,14,18H,8-9,11H2,1-4H3
InChIKeyOOILGOCKZCAEEX-UHFFFAOYSA-N
XLogP3.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol
CID 55098657
1-(3-chlorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62623300
1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol
CID 63655492
3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol
CID 62624570
1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63487553
1-(3-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62623656
3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62629130
1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 63713720
4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
CID 91535520
1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
CID 78991345
tert-butyl N-[3-(3-chlorophenyl)-3-hydroxypropyl]-N-propan-2-ylcarbamate
CID 59364370
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol (CID 55098610) is 1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol is CN(CCC(O)c1cccc(Cl)c1)CC(C)(C)C.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol?
The InChIKey is OOILGOCKZCAEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-15(2,3)11-17(4)9-8-14(18)12-6-5-7-13(16)10-12/h5-7,10,14,18H,8-9,11H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol?
1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol has a molecular weight of 269.82 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 55098610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).